CID 2760598

4,4,5,5-tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C
InChI
InChI=1S/C13H19BO2/c1-10-7-6-8-11(9-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
InChIKey
XDKYCZBGHPGKEP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-methylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

218.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15509 143.6
[M+Na]+ 241.13703 153.3
[M-H]- 217.14053 152.6
[M+NH4]+ 236.18163 166.1
[M+K]+ 257.11097 153.6
[M+H-H2O]+ 201.14507 139.6
[M+HCOO]- 263.14601 164.8
[M+CH3COO]- 277.16166 188.9
[M+Na-2H]- 239.12248 150.1
[M]+ 218.14726 146.8
[M]- 218.14836 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe